| 查看: 3417 | 回复: 27 | |||||
| 当前主题已经存档。 | |||||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||||
beefly专家顾问 (职业作家)
地沟油冶炼专家
|
[交流]
【分享】Molecular Operating Environment v2007.09下载
|
||||
|
Molecular Operating Environment 2007.09 | 700 MB Molecular Operating Environment v2007.09 integrates tools for computer-assisted drug discovery. Explore MOE's functionality in the following areas: Pharmacophore Discovery, Protein Modeling & Bioinformatics Medicinal Chemistry Applications, Molecular Modeling & Simulations, Structure-Based Design, Cheminformatics & QSAR, and, High Throughput Discovery. Pharmacophore Discovery ~~~~~~~~~~~~~~~~~~~~~~~~~ Scaffold Replacement Pharmacophore Elucidation Pharmacophore Search High Throughput Conformational Analysis Pharmacophore Query Editor Pharmacophore Consensus Protein Modeling & Bioinformatics ~~~~~~~~~~~~~~~~~~~~~~~~~ Protein Structure & Family Databases Fold Identification Structural Family Analysis Mutation & Rotamer Exploration Multiple Alignment Homology Modeling Structural Quality Assessment Medicinal Chemistry Applications ~~~~~~~~~~~~~~~~~~~~~~~~~ MOE/web LigX : Ligand Explorer Ligand  rotein Interaction DiagramsMolecular Surfaces and Maps Scaffold Replacement Molecular Descriptors Flexible Alignment of Small Molecules Molecular Modeling & Simulations ~~~~~~~~~~~~~~~~~~~~~~~~~ Builders & Data Import/Export Molecular Mechanics & Dynamics: MOE contains an integrated multiprocessor forcefield engine with open parameterization. Parameters for AMBER '89/94/99, CHARMM22/27, MMFF94(s), OPLS-AA and Engh-Huber models are included with the distribution. Implicit Solvent Electrostatics Conformational Analysis Flexible Alignment of Small Molecules Diffraction Simulation Quantum Calculations: MOE provides interfaces to popular ab initio, semi-empirical and density functional codes such as GAMESS, Gaussian, ADF, MOPAC and MOPAC 2007. Structure-Based Design ~~~~~~~~~~~~~~~~~~~~~~~~~ Active Site Detection Ligand rotein Interaction DiagramsMolecular Surfaces and Maps Protonate3D Ligand-Receptor Docking Multi-Fragment Search LigX : Ligand Explorer Cheminformatics & QSAR ~~~~~~~~~~~~~~~~~~~~~~~~~ SD Pipeline Command Line Tools Tautomer and Titration Enumeration Molecular Descriptors Similarity, Diversity & Fingerprints High Throughput Conformational Search QSAR/QSPR Predictive Modeling Consensus Modeling High Throughput Discovery ~~~~~~~~~~~~~~~~~~~~~~~~~ VSA Descriptors HTS-Binary QSAR Focused Combinatorial Library Design Diverse Combinatorial Library Design Combinatorial Library Enumeration RECAP Analysis and Synthesis Methods Development & Deployment ~~~~~~~~~~~~~~~~~~~~~~~~~ Scientific Vector Language (SVL) Background Computing Cluster Computing Computer Platforms Java Subsystem MOE/web iNFO: http://www.chemcomp.com/software.htm iNSTALL iNFO: 1.) unpack the files 2.) burn or mount the image 3.) install 4.) Check Shooters dir ! http://uploaded.to/file/4vmd59/M ... -SHooTERS.part1.rar http://uploaded.to/file/jnprt3/M ... -SHooTERS.part2.rar http://uploaded.to/file/49w4uh/M ... -SHooTERS.part3.rar http://uploaded.to/file/z7tz8t/M ... -SHooTERS.part4.rar [ Last edited by woshilsh on 2009-6-13 at 22:50 ] |
回复此楼» 猜你喜欢
散金币祈福
已经有186人回复
-
求助，如何提取ELK的rt-TDDFT在某一时刻的自旋密度分布和电子密度分布
已经有1人回复
-
物理学I论文润色/翻译怎么收费?
已经有193人回复
-
澳门大学IAPME李海峰教授常年招收博士研究生
已经有0人回复
-
澳门大学IAPME李海峰教授常年招收博士研究生
已经有0人回复
-
澳门大学IAPME李海峰教授常年招收博士研究生
已经有0人回复
-
深圳大学应用技术学院招聘凝聚态物理博士后
已经有114人回复
-
深圳大学2027级光电信息工程/物理学研究生推免
已经有70人回复
-
求助中医院临床中医中标的青年标书学习，谢谢
已经有4人回复
-
浙大物院表面物理课题组长期招收普博及直博学生
已经有257人回复
-
【征稿】Springer Nature热电专题 Discover Materials / Discover Chemistry
已经有39人回复
xufund
至尊木虫 (知名作家)
- 应助: 4 (幼儿园)
- 金币: 18237.5
- 散金: 20
- 红花: 5
- 帖子: 6734
- 在线: 811.7小时
- 虫号: 311488
- 注册: 2006-12-30
- 专业: 合成药物化学
4楼2008-11-24 21:10:49
xufund
至尊木虫 (知名作家)
- 应助: 4 (幼儿园)
- 金币: 18237.5
- 散金: 20
- 红花: 5
- 帖子: 6734
- 在线: 811.7小时
- 虫号: 311488
- 注册: 2006-12-30
- 专业: 合成药物化学
2楼2008-11-23 17:40:06
beefly
专家顾问 (职业作家)
地沟油冶炼专家
-
专家经验: +459 - 计算强帖: 1
- 应助: 88 (初中生)
- 金币: 13399.5
- 散金: 27307
- 红花: 302
- 帖子: 4686
- 在线: 929小时
- 虫号: 408372
- 注册: 2007-06-21
- 性别: GG
- 专业: 理论和计算化学
- 管辖: 计算模拟
3楼2008-11-24 00:38:20
beefly
专家顾问 (职业作家)
地沟油冶炼专家
-
专家经验: +459 - 计算强帖: 1
- 应助: 88 (初中生)
- 金币: 13399.5
- 散金: 27307
- 红花: 302
- 帖子: 4686
- 在线: 929小时
- 虫号: 408372
- 注册: 2007-06-21
- 性别: GG
- 专业: 理论和计算化学
- 管辖: 计算模拟
★ ★
mingdong(金币+2,VIP+0):感谢
mingdong(金币+2,VIP+0):感谢
|
断点续传工具（如flashget）的下载方法： 等待时间结束，出现“download的时候，打开网页的源文件（如果用ie浏览器，位于“view”菜单下的source），搜索关键词“uploaded.to//dl”，引号里的网址就是下载链接，形式如下： "http://s23b1-cb.uploaded.to//dl?id=f506394a5ac98941f3b8ee28dd465d0a" 把这个网址（不含引号）复制到flashget，线程数设为1（因为不支持多线程）。就可以下载了。 下载中间不能中断，而且网页浏览器不能关。 |
5楼2008-11-26 01:22:53
20